Information card for entry 4070556

Structure parameters

• Formula: C16 H27 Cl N3 Rh
• Calculated formula: C16 H27 Cl N3 Rh
• SMILES: [Rh]123(Cl)(=C4N(C=CN4CCN(C)C)C)[CH]4CC[CH]1=[CH]2CC[CH]3=4
• Title of publication: Rhodium(I) Complexes with Hemilabile N-Heterocyclic Carbenes: Efficient Alkyne Hydrosilylation Catalysts
• Authors of publication: Jiménez, M. Victoria; Pérez-Torrente, Jesús J.; Bartolomé, M. Isabel; Gierz, Verena; Lahoz, Fernando J.; Oro, Luis A.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 2
• Pages of publication: 224
• a: 10.3428 ± 0.0007 Å
• b: 13.0938 ± 0.0009 Å
• c: 12.7756 ± 0.0009 Å
• α: 90°
• β: 97.251 ± 0.001°
• γ: 90°
• Cell volume: 1716.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.0522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No